Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67579
- Core Entity Id
- 130228
- Source Entity Count
- 1
- Preferred Name
- 2-Methylanthracene
- Name En
- Pubchem Id
- 11936
- Smiles Canonical
- CC1=CC2=CC3=CC=CC=C3C=C2C=C1
- Molecular Formula
- C15H12
- Molecular Weight
- 192.0900
- Inchikey
- GYMFBYTZOGMSQJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.1000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methylanthracene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-Methylanthracene
Itcmdb Generated
ITX-INGREDIENT-A618D979486D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
192.090
Molecular Formula
C15H12
Fda Maximum Daily Dose (Fdamdd)
0.900
Quantitative Estimate Of Drug Likeness（Qed）
0.466